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N-(1)-(4,5-DIHYDRO-3-H-AZEPIN-2-YL)-NORSPERIMIDINE_HYDROCHLORIDE;AZ_3,3
SpectraBase Compound ID JJ59uOlM7RR
InChI InChI=1S/C12H23Cl3N4/c13-17-8-4-9-18(14)10-5-11-19(15)12-6-2-1-3-7-16-12/h17H,1-11H2
InChIKey OKPAFDAUNSZDGZ-UHFFFAOYSA-N
Mol Weight 329.7 g/mol
Molecular Formula C12H23Cl3N4
Exact Mass 328.09883 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3MtF5wHRmnW
Name N-(1)-(4,5-DIHYDRO-3-H-AZEPIN-2-YL)-NORSPERIMIDINE_HYDROCHLORIDE;AZ_3,3
Compound Number 13
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H23Cl3N4
InChI InChI=1S/C12H23Cl3N4/c13-17-8-4-9-18(14)10-5-11-19(15)12-6-2-1-3-7-16-12/h17H,1-11H2
InChIKey OKPAFDAUNSZDGZ-UHFFFAOYSA-N
Literature Reference Author S.TOMASI,J.RENAULT,B.MARTIN,S.DUHIEU,V.CEREC,M.LEROCH,P.URIA C,J.G.DELCROS
Literature Reference Citation J.MED.CHEM.,53,7647(2010)
Literature Reference DOI 10.1021/jm1007648
Molecular Weight 329.700 g/mol
Solvent D2O
Source File Reference UWMZ47585